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Information card for entry 1550736
Preview
| Coordinates | 1550736.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C88 H62 F24 N10 P4 S4 |
|---|---|
| Calculated formula | C88 H62 F24 N10 P4 S4 |
| Title of publication | Choosing Sides: Unusual Ultrafast Charge Transfer Pathways in an Asymmetric Electron-Accepting Cyclophane that Binds an Electron Donor |
| Authors of publication | Zhou, Jiawang; Wu, Yilei; Roy, Indranil; Samanta, Avik; Stoddart, J. Fraser; Young, Ryan Michael; Wasielewski, Michael R. |
| Journal of publication | Chemical Science |
| Year of publication | 2019 |
| a | 10.3592 ± 0.0004 Å |
| b | 10.5764 ± 0.0004 Å |
| c | 19.6578 ± 0.0008 Å |
| α | 102.138 ± 0.002° |
| β | 95.368 ± 0.002° |
| γ | 103.9 ± 0.002° |
| Cell volume | 2020.27 ± 0.14 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100.01 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0449 |
| Residual factor for significantly intense reflections | 0.037 |
| Weighted residual factors for significantly intense reflections | 0.0962 |
| Weighted residual factors for all reflections included in the refinement | 0.1019 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 214074 (current) | 2019-03-12 | cif/ Adding structures of 1550735, 1550736 via cif-deposit CGI script. |
1550736.cif |
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